4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

C16H13BrN2O2 — CID 60679864

IUPAC4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC(=O)c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C16H13BrN2O2/c17-12-7-5-11(6-8-12)15(20)9-19-10-16(21)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,21)
InChIKeyIXGQQOIPLBVSKD-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.09
Rot. Bonds3

About 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 60679864) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID60679864
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC(=O)c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C16H13BrN2O2/c17-12-7-5-11(6-8-12)15(20)9-19-10-16(21)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,21)
InChIKeyIXGQQOIPLBVSKD-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (CID 60679864) is 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(CC(=O)c2ccc(Br)cc2)c2ccccc2N1.
What is the InChIKey of 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IXGQQOIPLBVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-7-5-11(6-8-12)15(20)9-19-10-16(21)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,21).
What are the key properties of 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 60679864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).